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CAS 103275-22-5 1-(2-bromophenyl)-2-methylpropan-2-amine molecular structure lightbox
CAS RN: 103275-22-5

1-(2-bromophenyl)-2-methylpropan-2-amine

Product Availability

Available package options are listed below.

1 package records0 with current stock
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250530 100mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS103275-22-5
  • Purity/Analytical Methods: >99.0%
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103275-22-5 / 1-(2-bromophenyl)-2-methylpropan-2-amine

1-(2-bromophenyl)-2-methylpropan-2-amine | 1-(2-bromophenyl)-2-methyl-propan-2-amine | SCHEMBL15638695

Standard CAS: 103275-22-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
103275-22-5
Multi CAS
No
Molecular Formula
C10H14BrN
Molecular Weight
228.130000
Exact Mass
227.030960
SMILES
CC(C)(CC1=CC=CC=C1Br)N
InChI
InChI=1S/C10H14BrN/c1-10(2,12)7-8-5-3-4-6-9(8)11/h3-6H,7,12H2,1-2H3
InChIKey
RWOQONCOSDNAGA-UHFFFAOYSA-N
Synonyms
1-(2-bromophenyl)-2-methylpropan-2-amine 1-(2-bromophenyl)-2-methyl-propan-2-amine SCHEMBL15638695 PCA05767 AKOS009458103

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
56.11
TPSA
26.02

LogP / Solubility

WLOGP
2.73
MLOGP
2.4
XLogP3
2.6
Consensus LogP
2.58
Log S (ESOL)
-3.21
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.4
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.65
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.17

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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